{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" [ 10.9714 10.23627 9.780666 9.449646 9.189504 8.975176 8.792916 8.634366 8.494061 8.368231 8.254168 8.149857 8.053762 7.964682 7.881663 7.803931 7.730855 7.661906 7.596644 7.534695 7.475738 7.419498 7.365735 7.31424 7.279184 7.242289 7.203351 7.162131 7.118345 7.071651 7.021636 6.967792 6.909482 6.845898 6.775991 6.698363 6.611095 6.511446 6.395315 6.256148 6.082487 5.85139 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.09714e-09 1.023627e-09 9.780666e-10 9.449646e-10 9.189503999999999e-10 8.975176e-10 8.792916000000001e-10 8.634366e-10 8.494061000000001e-10 8.368231e-10 8.254168e-10 8.149857000000001e-10 8.053762000000001e-10 7.964682e-10 7.881663e-10 7.803931000000001e-10 7.730855000000001e-10 7.661906e-10 7.596644000000001e-10 7.534695e-10 7.475738e-10 7.419498e-10 7.365735000000001e-10 7.31424e-10 7.279184e-10 7.242289000000001e-10 7.203351e-10 7.162131e-10 7.118345e-10 7.071651e-10 7.021636e-10 6.967792e-10 6.909482e-10 6.845898e-10 6.775991e-10 6.698363e-10 6.611095e-10 6.511446e-10 6.395315e-10 6.256148e-10 6.082487e-10 5.851390000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.20608e-05 0.0162426 0.110087 0.270962 0.459252 0.649965 0.830943 0.99705 1.14663 1.2797 1.39702 1.49966 1.58877 1.66551 1.73092 1.78598 1.83157 1.86848 1.89742 1.91903 1.93387 1.94244 1.9452 1.94388 1.93957 1.93165 1.91933 1.90164 1.87731 1.8447 1.80165 1.74525 1.67149 1.5747 1.44664 1.27481 1.03936 0.706799 0.215781 -0.55458 -1.93929 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.932353178814464e-24 2.602351398100608e-21 1.7637881765400963e-20 4.341289815252096e-20 7.358028174556416e-20 1.0413587273382721e-19 1.3313174478174144e-19 1.59745019976864e-19 1.8371037787079043e-19 2.0503054216377602e-19 2.238272782790016e-19 2.402720191148928e-19 2.545490149828416e-19 2.668441183708608e-19 2.773239556475136e-19 2.861455401216384e-19 2.934498633358656e-19 2.993634972432384e-19 3.0400019638383363e-19 3.0746250006138243e-19 3.098401301666496e-19 3.112131955306752e-19 3.1165539627801604e-19 3.1144390896407043e-19 3.1075337084050564e-19 3.0948444695683204e-19 3.075105653600064e-19 3.046763149178112e-19 3.0077821919940483e-19 2.9555352123897604e-19 2.8865615088643203e-19 2.7961987474512e-19 2.678022199900992e-19 2.5229475247737603e-19 2.317772786714112e-19 2.042470777962048e-19 1.6652382925946883e-19 1.1324168334048192e-19 3.457192734128448e-20 -8.88535110363264e-20 -3.1070850989512323e-19 ] } }